General Information of the Compound
| Compound ID |
CP0154130
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| Compound Name |
N-[(8-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
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| Structure |
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| Formula |
C18H28N4O2
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| Molecular Weight |
332.448
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| Canonical SMILES |
COc1cccc2CCC(CNCCCNC3=NCCCN3)Oc12
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| InChI |
InChI=1S/C18H28N4O2/c1-23-16-6-2-5-14-7-8-15(24-17(14)16)13-19-9-3-10-20-18-21-11-4-12-22-18/h2,5-6,15,19H,3-4,7-13H2,1H3,(H2,20,21,22)
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| InChIKey |
WBQWCPFFDGOASI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound